4-(2-hydroxyethyl)thiomorpholine-2,3-dione

C6H9NO3S — CID 22924634

IUPAC4-(2-hydroxyethyl)thiomorpholine-2,3-dione
SMILESO=C1SCCN(CCO)C1=O
InChIInChI=1S/C6H9NO3S/c8-3-1-7-2-4-11-6(10)5(7)9/h8H,1-4H2
InChIKeyJCHOKPQXOFJZGF-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.92
Rot. Bonds2

About 4-(2-hydroxyethyl)thiomorpholine-2,3-dione

4-(2-hydroxyethyl)thiomorpholine-2,3-dione (PubChem CID 22924634) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)thiomorpholine-2,3-dione.

Molecular Properties

Compound Name4-(2-hydroxyethyl)thiomorpholine-2,3-dione
PubChem CID22924634
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name4-(2-hydroxyethyl)thiomorpholine-2,3-dione
SMILESO=C1SCCN(CCO)C1=O
InChIInChI=1S/C6H9NO3S/c8-3-1-7-2-4-11-6(10)5(7)9/h8H,1-4H2
InChIKeyJCHOKPQXOFJZGF-UHFFFAOYSA-N
XLogP-0.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-(2-Hydroxyethyl)thiomorpholin-3-one
CID 13245534
4-(2-Hydroxyethyl)-1lambda~4~,4-thiazinane-1,3-dione
CID 13245535
2-(3-Oxothiomorpholin-4-yl)acetic acid
CID 13245541
5-Hydroxy-4-methylthiomorpholin-3-one
CID 13474375
4-(2-Hydroxypropanoyl)thiomorpholin-2-one
CID 19039470
4-(3-Hydroxypropyl)thiomorpholine-2,3-dione
CID 19039755
2-Hydroxy-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 19039784
4-(2-Hydroxyacetyl)thiomorpholine-2,3-dione
CID 53927885
2-Oxo-2-thiomorpholin-4-ylacetaldehyde
CID 54220361
4-(Hydroxymethyl)thiomorpholine-2,3-dione
CID 54509405
4-(2-Hydroxyethyl)thiomorpholin-2-one
CID 66681831
4-(2-Hydroxyethyl)-1-oxo-1,4-thiazinan-2-one
CID 68296753

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)thiomorpholine-2,3-dione?
The IUPAC name of 4-(2-hydroxyethyl)thiomorpholine-2,3-dione (CID 22924634) is 4-(2-hydroxyethyl)thiomorpholine-2,3-dione.
What is the SMILES notation for 4-(2-hydroxyethyl)thiomorpholine-2,3-dione?
The canonical SMILES for 4-(2-hydroxyethyl)thiomorpholine-2,3-dione is O=C1SCCN(CCO)C1=O.
What is the InChIKey of 4-(2-hydroxyethyl)thiomorpholine-2,3-dione?
The InChIKey is JCHOKPQXOFJZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c8-3-1-7-2-4-11-6(10)5(7)9/h8H,1-4H2.
What are the key properties of 4-(2-hydroxyethyl)thiomorpholine-2,3-dione?
4-(2-hydroxyethyl)thiomorpholine-2,3-dione has a molecular weight of 175.21 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)thiomorpholine-2,3-dione is sourced from PubChem (CID 22924634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).